5-methyl-4-(3-morpholin-4-ium-4-ylpropylamino)-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 5-methyl-4-(3-morpholin-4-ium-4-ylpropylamino)-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 5-methyl-4-(3-morpholin-4-ium-4-ylpropylamino)-N-[2-(2-thienyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 5-methyl-4-[3-(4-morpholin-4-iumyl)propylamino]-N-(2-thiophen-2-ylethyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 5-methyl-4-(3-morpholin-4-ium-4-ylpropylamino)-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 5-methyl-4-(3-morpholin-4-ium-4-ylpropylamino)-N-[2-(2-thienyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H28N5O2S2+ MolecularWeight: 446.60932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCCC[NH+]3CCOCC3)C(=O)NCCC4=CC=CS4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCCC[NH+]3CCOCC3)C(=O)NCCC4=CC=CS4

InChI

InChI=1S/C21H27N5O2S2/c1-15-17-19(22-6-3-8-26-9-11-28-12-10-26)24-14-25-21(17)30-18(15)20(27)23-7-5-16-4-2-13-29-16/h2,4,13-14H,3,5-12H2,1H3,(H,23,27)(H,22,24,25)/p+1